CS-0493044
((6aR,9R,10aS)-5-Hydroxy-10a-methoxy-4,7-dimethyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methyl 5-bromonicotinate Nicergoline Impurity
Manufacturer: ChemScene
CAS Number: None
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₄H₂₆BrN₃O₄
Molecular Weight
500.38
Synonyms
None
SMILES
CN1C[C@H](COC(C2=CC(Br)=CN=C2)=O)C[C@]([C@@]1([H])CC3=C(O)N4C)(OC)C5=C3C4=CC=C5
Tpsa
76.82
Logp
3.6165
H Acceptors
7
H Donors
1
Rotatable Bonds
4
Other Options
...
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₆BrN₃O₄
Molecular Weight: 500.38
Synonyms: None
SMILES: CN1C[C@H](COC(C2=CC(Br)=CN=C2)=O)C[C@]([C@@]1([H])CC3=C(O)N4C)(OC)C5=C3C4=CC=C5
Tpsa: 76.82
Logp: 3.6165
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₆BrN₃O₄
Molecular Weight:
500.38
Synonyms:
None
SMILES:
CN1C[C@H](COC(C2=CC(Br)=CN=C2)=O)C[C@]([C@@]1([H])CC3=C(O)N4C)(OC)C5=C3C4=CC=C5
Tpsa:
76.82
Logp:
3.6165
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₁FN₂O₂
Molecular Weight: 244.31
Synonyms: None
SMILES: CC(C)(C)OC(=O)N1C2C(C2)C(CN)(F)CC1
Tpsa: 55.56
Logp: 1.6827
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₁FN₂O₂
Molecular Weight:
244.31
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)N1C2C(C2)C(CN)(F)CC1
Tpsa:
55.56
Logp:
1.6827
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₉NO₅
Molecular Weight: 257.28
Synonyms: None
SMILES: OC(=O)C1(O)C2C(C2)N(CC1)C(=O)OC(C)(C)C
Tpsa: 87.07
Logp: 0.8314
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₉NO₅
Molecular Weight:
257.28
Synonyms:
None
SMILES:
OC(=O)C1(O)C2C(C2)N(CC1)C(=O)OC(C)(C)C
Tpsa:
87.07
Logp:
0.8314
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₁NO₅
Molecular Weight: 271.31
Synonyms: None
SMILES: CC(C)(C)OC(=O)N1C2C(C2)C(C(O)=O)(OC)CC1
Tpsa: 76.07
Logp: 1.4855
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₁NO₅
Molecular Weight:
271.31
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)N1C2C(C2)C(C(O)=O)(OC)CC1
Tpsa:
76.07
Logp:
1.4855
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2